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Methyl (R)-7-((tert-butoxycarbonyl)amino)-3,5-dioxo-7-phenylheptanoate

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Methyl (R)-7-((tert-butoxycarbonyl)amino)-3,5-dioxo-7-phenylheptanoate
SpectraBase Compound ID 5HedSm8dhM8
InChI InChI=1S/C19H25NO6/c1-19(2,3)26-18(24)20-16(13-8-6-5-7-9-13)11-14(21)10-15(22)12-17(23)25-4/h5-9,16H,10-12H2,1-4H3,(H,20,24)/t16-/m1/s1
InChIKey DIKBZJCBVHFTRT-MRXNPFEDSA-N
Mol Weight 363.41 g/mol
Molecular Formula C19H25NO6
Exact Mass 363.168188 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9wdGSvWCtzK
Name Methyl (R)-7-((tert-butoxycarbonyl)amino)-3,5-dioxo-7-phenylheptanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 363.168187523 u
Formula C19H25NO6
InChI InChI=1S/C19H25NO6/c1-19(2,3)26-18(24)20-16(13-8-6-5-7-9-13)11-14(21)10-15(22)12-17(23)25-4/h5-9,16H,10-12H2,1-4H3,(H,20,24)/t16-/m1/s1
InChIKey DIKBZJCBVHFTRT-MRXNPFEDSA-N
Molecular Weight 363.410 g/mol
SMILES C1=CC=CC([C@@](CC(CC(=O)CC(OC)=O)=O)(NC(=O)OC(C)(C)C)[H])=C1